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7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 24fZa5fpu9v
InChI InChI=1S/C21H26Cl2N6O5/c1-26-18-17(19(32)25-21(26)33)29(20(24-18)28-6-4-27(5-7-28)8-9-30)11-14(31)12-34-16-3-2-13(22)10-15(16)23/h2-3,10,14,30-31H,4-9,11-12H2,1H3,(H,25,32,33)
InChIKey CRPBPKHUFZRPDT-UHFFFAOYSA-N
Mol Weight 513.38 g/mol
Molecular Formula C21H26Cl2N6O5
Exact Mass 512.134173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B7basGBWBNY
Name 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H26Cl2N6O5/c1-26-18-17(19(32)25-21(26)33)29(20(24-18)28-6-4-27(5-7-28)8-9-30)11-14(31)12-34-16-3-2-13(22)10-15(16)23/h2-3,10,14,30-31H,4-9,11-12H2,1H3,(H,25,32,33)
InChIKey CRPBPKHUFZRPDT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20181
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D16360; Labnumber: UZROM-3477; SBI_ID: SBI-020185
Temperature 318 °C